Structure

InChI Key YPVDWEHVCUBACK-UHFFFAOYSA-N
Smiles O=C(OOC(=O)OCCC)OCCC
InChI
InChI=1/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O6
Molecular Weight 206.08
AlogP 2.03
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 71.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 16066-38-9
NORMAN SUSDAT
FDA SRS 52N9W6F4YM
PubChem 85264